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Electronic and optical properties of nickel-doped ceria: A computational modelling study

Cerium oxide CeO2, or ceria, has gained increasing interest owing to its excellent catalytic applications. Under the framework of density functional theory (DFT), this contribution demonstrates the effect that introducing the element nickel (Ni) into the ceria lattice has on its electronic, structural, and optical characteristics. Electronic density of states (DOSs) analysis shows that Ni integration leads to a shrinkage of Ce 4f states and improvement of Ni 3d states in the bottom of the conduction band. Furthermore, the calculated optical absorption spectra of an Ni-doped CeO2 system shifts towards longer visible light and infrared regions. Results indicate that Ni-doping a CeO2 system would result in a decrease of the band gap. Finally, Mulliken's charge transfer of the Ce1−xNixO2 system exhibits an ionic bond between Ce or Ni and O, and covalent bonds between Ce and Ni atoms. The analysis of absorption spectra demonstrates that Ni-doped CeO2 is a material with potential use in photocatalytic, photovoltaic, and solar panels.

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Publication Date
Mon May 08 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Optical Properties of SnS2 Thin films Prepared By Chemical Spray Pyrolysis

 Thin films of tin disulphide SnS2 with different thicknesses (2500,4000,5000)A0 have been prepared by chemical spray pyrolises technique on substrate of glass with temperature (603)K .  The effect of thickness on the optical properties of SnS2 has been studied.the optical  study that includes the absorptance and transmittance spectra in the wavelength range (300900)nm demonstrated that the value of absorption coefficient (α) ) was greater than (104 cm-1) the  electronic transitions at the fundamental absorption edge were of the indirect kind whether allowed and forbidden . Absorption edge shift slightly towards higher wave  length.The value of energy gaps (Eg) for all the films prepared are decreased with inc

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Publication Date
Sun Sep 29 2019
Journal Name
Iraqi Journal Of Science
Optical Properties of Mixed ZnO: Fe2O3 Grown via Pulsed laser deposition

In this study, mixing of  zinc oxide (ZnO) nanoparticles with iron oxide(Fe2O3) at      (0, 0.1, 0.3, 0.5 and 1)%wt., are deposited on glass substrates by pulsed laser deposition (PLD) technique for study characterization ZnO:Fe2O3 as solar cell electrode. The profound effect of mixed film on the structural and optical of ZnO: Fe2O3 thin films was observed. Meanwhile, the films have polycrystalline Hexagonal structures for ZnO, Rhombohedra and cubic structure for Fe2O3, and as indicated by the X-ray diffraction patterns of the films. The mean crystallite size of ZnO increase with increasing mixed ratio. The direct energy

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Publication Date
Wed May 25 2022
Journal Name
Iraqi Journal Of Science
Optical Properties of Manufactured Mirrors Using DC Plasma Magnetron Sputtering Technique

    This paper defines a method for sputtering high strength, extremely conductive silver mirrors on glass substrates at temperatures ranging from 20o to 22o C. The silver coated layer thicknesses in this work ranges from 7.5 to 16.1 nm using sputtering time from 10 to 30 min at power 25 W, 13.7 to 29.2 nm for time 10 to 30 min at 50 W, 15.7 to 26.4 nm for time 10 to 30 min at 75 W and 13.8 to 31.1 nm for time 10 to 30 min at 100 W. The optimum values of pressure and electrode gape for plasma sputtering system are 0.1 mbar and 5 cm respectively. The effect of DC sputtering power, sputtering duration or (sputtering time), and thickness on optical properties was investigated using an ultraviolet-visible spectrophot

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Publication Date
Thu Dec 23 2021
Journal Name
Iraqi Journal Of Science
Design and Fabrication of Nanostructure TiO2 Doped NiO as A Gas Sensor for NO2 Detection

      In this paper, thin films of undoped and nickel oxide (NiO) doped titanium dioxide (TiO2) were prepared using the chemical spray pyrolysis deposition (CSP) technique, with different concentrations of nickel oxide (NiO) in the range (3-9) wt%. The morphological, structural, electrical, and sensing properties of a gas of the prepared thin films were examined. XRD measurements showed that TiO2 films have a polycrystalline structure. AFM analysis showed that these films have a regular structure both before and after doping . The roughness of these films  decreased after adding  impurities but then the opposite of that took  place. The electrical and gas sens

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
SiCi_xNxthin films preparation by TEA-Co2 Laser induced Vapor-phase reaction and study of the nature of chemical bonds and some their electrical and optical properties

A pulsed (TEA-0O2) laser was used to dissociate molecules of silane ethylene (C2I-14) and ammonia (NH3) gases, through collision assisted multiple photon dissociation (MPD) to deposit(SiC i_xNx) thin films, where the X-values are 0, 0.13 and 0.33, on glass substrate at T,----648 K. deposition rate of (0.416-0.833) nm/pulse and thickness of (500-1000)nm .Fourier transform infrared spectrometry (FT-IR) was used to study the nature of the chemical bonds that exist in the films. Results revealed that these films contain complex networks of the atomic (Si, C, and N), other a quantity of atomic hydrogen and chemical bonds such as (Si-N, C-N, C-14 and N-H).Absorbance and Transmittance spectra in the wavelength range (400-1100) nm were used to stud

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Publication Date
Sun Jan 12 2020
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability
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Publication Date
Mon Jun 10 2013
Journal Name
International Journal Of Application Or Innovation In Engineering & Management (ijaiem)
The Effect of Annealing Temperature on the Optical Properties of CdS and CdS:Al Thin Films

Cadmium sulfide and Aluminum doped CdS thin films were prepared by thermal evaporation technique in vacuum on a heated glass substrates at 373K. A comparison between the optical properties of the pure and doped films was made through measuring and analyzing the transmittance curves, and the effect of the annealing temperature on these properties were estimated. All the films were found to exhibit high transmittance in the visible/ near infrared region from 500nm to 1100nm.The optical band gap energy was found to be in the range 2.68-2.60 eV and 2.65-2.44 eV for CdS and CdS:Al respectively , with changing the annealing temperature from room temperature to 423K.Optical constants such as refractive index, extinction coefficient, and complex di

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Publication Date
Sun Jan 05 2014
Journal Name
Paripex - Indian Journal Of Research
Effect of heat treatment on the structural and optical properties of CuIn1-xGaxSe thin films

The structural, optical properties of cupper indium gallium selenite (CuIn1-xGaxSe) have been studied. CuIn1-xGaxSe thin films for x=0.6 have been prepared by thermal evaporation technique, of 2000±20 nm thickness, with rate of deposition 2±0.1 nm/sec, on glass substrate at room temperature. Heat treatment has been carried out in the range (373-773) K for 1 hour. It demonstrated from the XRD method that all the as-deposited and annealed films have polycrystalline structure of multiphase. The optical measurement of the CIGS thin films conformed that they have, direct allowed energy gap equal to 1.7 eV. The values of some important optical parameters of the studied films such as (absorption coefficient, refractive index, extinction coeffici

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Publication Date
Tue Dec 11 2018
Journal Name
Iraqi Journal Of Physics
Effect of annealing temperature on structural and optical properties of Cr2O3 thin films by PLD

In the present work, pulsed laser deposition (PLD) technique was applied to a pellet of Chromium Oxide (99.999% pure) with 2.5 cm diameter and 3 mm thickness at a pressure of 5 Tons using a Hydraulic piston. The films were deposited using Nd: YAG laser λ= (4664) nm at 600 mJ and 400 number of shot on a glass substrate, The thickness of the film was (107 nm). Structural and morphological analysis showed that the films started to crystallize at annealing temperature greater than 400 oC. Absorbance and transmittance spectra were recorded in the wavelength range (300-
4400) nm before and after annealing. The effects of annealing temperature on absorption coefficient, refractive index, extinction coefficient, real and imaginary parts of d

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Publication Date
Mon Feb 18 2019
Journal Name
Iraqi Journal Of Physics
Effect of annealed temperature on some structural, optical and mechanical properties of selenium thin film

In this paper a thin films of selenium was prepare on substrates of n-Si by evaporation in a vacuum technique with thickness about 0.5μm. And then an annealing process was done on samples at two temperature (100 and 200) C ° in a vacuum furnace (10-3 torr).
Some structural, optical and mechanical properties of prepared thin films were measured. Results showed that the prepared film was the crystallization, optical transmittance and micro hardness of the prepared thin films increased significantly after annealing.

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